CID 211308

22833-34-7

Structural Information

Molecular Formula
C18H17N3OS
SMILES
CCN(CC1C(=O)N2C3=CC=CC=C3N=C2S1)C4=CC=CC=C4
InChI
InChI=1S/C18H17N3OS/c1-2-20(13-8-4-3-5-9-13)12-16-17(22)21-15-11-7-6-10-14(15)19-18(21)23-16/h3-11,16H,2,12H2,1H3
InChIKey
JWQUXNHNKMJRLW-UHFFFAOYSA-N
Compound name
2-[(N-ethylanilino)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.10922 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.11650 172.8
[M+Na]+ 346.09844 186.6
[M+NH4]+ 341.14304 182.4
[M+K]+ 362.07238 180.0
[M-H]- 322.10194 177.9
[M+Na-2H]- 344.08389 179.9
[M]+ 323.10867 176.8
[M]- 323.10977 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.